Basic information
- CAS
39015-63-9- Standard SMILES
OC[C@H]1O[C@@H](Oc2ccc(O)c3cccc(O)c23)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
LASMTIIWUCJLEH-YMILTQATSA-N- Molecular formula
- C16H18O8
- Average molar mass
- 338.31 g/mol
- Monoisotopic mass
- 338.10016753
Overview
alpha-Hydrojuglone 4-glucoside has been reported in Juglans mandshurica and Juglans regia with data available.
Names & identifiers
- Preferred name
- 4-(beta-D-Glucopyranosyloxy)-1,5-naphthalenediol
- IUPAC
- (2S,3R,4S,5S,6R)-2-(4,8-dihydroxynaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
39015-63-94-(beta-D-Glucopyranosyloxy)-1,5-naphthalenediolCompound NP-019140SCHEMBL1628311I+/--Hydrojuglone 4-glucosideDTXSID101310960AKOS040734962NCGC00385147-014,8-Dihydroxynaphthalen-1-yl beta-D-glucopyranoside1,4,8-Trihydroxynaphthalene 1-O-.beta.-D.-glucopyranosideNCGC00385147-01_C16H18O8_beta-D-Glucopyranoside, 4,8-dihydroxy-1-naphthalenyl(2S,3R,4S,5S,6R)-2-[(4,8-dihydroxy-1-naphthyl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Database identifiers
- CAS
39015-63-9- PubChem CID
- 477404
- DTXSID
DTXSID101310960- Nikkaji
- J156.584B
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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